| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:30 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123502 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C18H25N3O7 |
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| Molecular Mass | 395.1692 |
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| SMILES | CC(O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CCC(=O)O)C(=O)O |
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| InChI Key | ITVBKCZZLJUUHI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidesphenylalanine and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativealpha peptidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholpolypeptidealpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativeshydroxy acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidaromatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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